2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

C12H22N2O — CID 115432789

IUPAC2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNCc1ccco1
InChIInChI=1S/C12H22N2O/c1-3-12(4-2,9-13)10-14-8-11-6-5-7-15-11/h5-7,14H,3-4,8-10,13H2,1-2H3
InChIKeyORUSQSRLFPDWSX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.13
Rot. Bonds7

About 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 115432789) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID115432789
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNCc1ccco1
InChIInChI=1S/C12H22N2O/c1-3-12(4-2,9-13)10-14-8-11-6-5-7-15-11/h5-7,14H,3-4,8-10,13H2,1-2H3
InChIKeyORUSQSRLFPDWSX-UHFFFAOYSA-N
XLogP2.13
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 115656634
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
CID 111499070
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (CID 115432789) is 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is CCC(CC)(CN)CNCc1ccco1.
What is the InChIKey of 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is ORUSQSRLFPDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(4-2,9-13)10-14-8-11-6-5-7-15-11/h5-7,14H,3-4,8-10,13H2,1-2H3.
What are the key properties of 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 115432789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).